Merged in ioncellBugFix (pull request #565)

BugFix for IONCELL optimization Approved-by: Sambit Das Approved-by: Phani Motamarri
dftfeDevelopers · Feb 23, 2024 · 7cb3679 · 7cb3679
2 parents 3841181 + 742a0db
commit 7cb3679
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/dft/dft.cc b/src/dft/dft.cc
@@ -1296,7 +1296,8 @@ namespace dftfe
  // false option reinitializes vself bins from scratch wheras true option
  // only updates the boundary conditions
  const bool updateOnlyBinsBc = !updateImagesAndKPointsAndVselfBins;
- initBoundaryConditions(isMeshDeformed, updateOnlyBinsBc);
+ initBoundaryConditions(isMeshDeformed || d_dftParamsPtr->isCellStress,
+ updateOnlyBinsBc);
 
  MPI_Barrier(d_mpiCommParent);
  init_bc = MPI_Wtime() - init_bc;